6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium

C14H15N2S+ — CID 785032

IUPAC6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium
SMILESCc1ccccc1Cn1c(C)c[n+]2ccsc12
InChIInChI=1S/C14H15N2S/c1-11-5-3-4-6-13(11)10-16-12(2)9-15-7-8-17-14(15)16/h3-9H,10H2,1-2H3/q+1
InChIKeyFDCMFKDWPYNTEX-UHFFFAOYSA-N
MW243.36 g/mol
LogP2.95
Rot. Bonds2

About 6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium

6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium (PubChem CID 785032) has the molecular formula C14H15N2S+ and a molecular weight of 243.36 g/mol. Its IUPAC name is 6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium.

Molecular Properties

Compound Name6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium
PubChem CID785032
Molecular FormulaC14H15N2S+
Molecular Weight243.36 g/mol
Exact Mass243.10
IUPAC Name6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium
SMILESCc1ccccc1Cn1c(C)c[n+]2ccsc12
InChIInChI=1S/C14H15N2S/c1-11-5-3-4-6-13(11)10-16-12(2)9-15-7-8-17-14(15)16/h3-9H,10H2,1-2H3/q+1
InChIKeyFDCMFKDWPYNTEX-UHFFFAOYSA-N
XLogP2.95
TPSA9.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.36
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium?
The IUPAC name of 6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium (CID 785032) is 6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium.
What is the SMILES notation for 6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium?
The canonical SMILES for 6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium is Cc1ccccc1Cn1c(C)c[n+]2ccsc12.
What is the InChIKey of 6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium?
The InChIKey is FDCMFKDWPYNTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N2S/c1-11-5-3-4-6-13(11)10-16-12(2)9-15-7-8-17-14(15)16/h3-9H,10H2,1-2H3/q+1.
What are the key properties of 6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium?
6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium has a molecular weight of 243.36 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-[(2-methylphenyl)methyl]imidazo[2,1-b][1,3]thiazol-4-ium is sourced from PubChem (CID 785032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).